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Supported Software

Autonomous experiments

  • TAS-Paths (Automatic pathfinding for Triple-Axis Spectrometers (TAS) for neutron inelastic scattering measurements) Contact: Tobias

Data reduction

  • Mantid (Data analysis and visualization package for neutron scattering and μSR experiments) Contact:  Stef 
  • LAMP (Large Array Manipulation Program) Contact: Miguel / Stef
  • Takin (Software for experiment planning, visualisation, and data analysis of neutron and X-ray inelastic scattering experiments.) Contact: Tobias

Data Analysis

  • SASview (Small Angle Scattering Analysis) Contact: Miguel
  • QENSLibrary (Library for QENS data analysis - python fitting package) Contact: Miguel

Simulation -- C-Lab

Molecular Dynamics

Ab-INITIO CALculations

  • VASP (Periodic plane wave simulations)  Contact: Stef 
  • Crystal (Periodic Gaussian based simulations) Contact: Elisa
  • Dalton/LSDalton (Molecular Electronic Structure Programs)  Contact: Elisa
  • MOLCAS  (ab initio quantum chemistry software package) Contact: Elisa

Phonon code

  • Phonon (Phonon curves and density spectra) Contact: Stef 
  • Phonopy (Phonon calculations at harmonic and quasi-harmonic levels) Contact: Stef / Tobias